SCHEMBL26501294

SCHEMBL26501294

Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)C[C@@H]2C)nn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.57
ADAMTS5 Q9UNA0 1/20 0.38
CHRM1 P11229 1/20 0.38
SMO Q99835 1/20 0.36
TLR9 Q9NR96 6/20 0.36
TLR8 Q9NR97 6/20 0.36
TLR7 Q9NYK1 6/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26501301 1.00 PANK3 (0.57) PANK3ADAMTS5CHRM1SMOTLR9
SCHEMBL21424138 0.90 PANK3 (0.72) PANK3ADAMTS5
SCHEMBL21424139 0.90 PANK3 (0.72) PANK3ADAMTS5
SCHEMBL31717684 0.90 PANK3 (0.72) PANK3ADAMTS5
SCHEMBL31717579 0.90 PANK3 (0.72) PANK3ADAMTS5
SCHEMBL19748422 0.87 PANK3 (0.74) PANK3
SCHEMBL21406210 0.87 PANK3 (0.74) PANK3
SCHEMBL31717871 0.87 PANK3 (0.74) PANK3
SCHEMBL19748421 0.87 PANK3 (0.74) PANK3
SCHEMBL31717891 0.87 PANK3 (0.74) PANK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885ADAMTS5 3055/4885CHRM1 4283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.